MOLPRO Basis Query, element=Bk, basis=cc-pwCVQZ-X2C, l=f
Basis Bk f cc-pwCVQZ-X2C
Primitives | Contractions... |
2234.456500 | 0.000228 | -0.000080 | 0.000082 | 0.000101 | 0.000110 | -0.000127 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
743.994920 | 0.002100 | -0.000734 | 0.000751 | 0.000864 | 0.000895 | -0.001572 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
313.804420 | 0.012103 | -0.004267 | 0.004383 | 0.005322 | 0.005756 | -0.007375 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
149.550800 | 0.047485 | -0.016709 | 0.017128 | 0.019867 | 0.020601 | -0.034776 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
75.953585 | 0.132389 | -0.047005 | 0.048386 | 0.058833 | 0.063795 | -0.082074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
40.239439 | 0.260179 | -0.089777 | 0.091478 | 0.103931 | 0.106491 | -0.186368 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21.637237 | 0.349087 | -0.110197 | 0.107034 | 0.126317 | 0.126143 | -0.066082 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.790539 | 0.298456 | -0.051827 | 0.034337 | -0.001056 | -0.047522 | -0.040742 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.447603 | 0.142923 | 0.113753 | -0.149588 | -0.195912 | -0.207710 | 0.802013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.486795 | 0.031676 | 0.280571 | -0.324080 | -0.500524 | -0.731347 | 0.003140 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.860679 | 0.002256 | 0.341251 | -0.278152 | 0.079024 | 1.131680 | -1.836040 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.966082 | 0.000262 | 0.288930 | 0.179924 | 0.807339 | 0.203859 | 2.247780 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.481696 | 0.000012 | 0.182908 | 0.446477 | -0.021179 | -1.119760 | -0.976842 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.226458 | 0.000037 | 0.077958 | 0.347701 | -0.520771 | 0.347171 | -0.408331 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.095837 | -0.000001 | 0.015317 | 0.122327 | -0.292109 | 0.543320 | 0.692166 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
19.506828 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
10.444340 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
5.592106 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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